F37
(5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione
Created: | 2013-06-24 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 39 |
Chiral Atom Count | 1 |
Bond Count | 42 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione |
Systematic Name (OpenEye OEToolkits) | (5S)-5-methyl-5-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenyl]imidazolidine-2,4-dione |
Formula | C18 H14 N4 O3 |
Molecular Weight | 334.329 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4ccccc4N=C(N1)c2ccc(cc2)C3(C(=O)NC(=O)N3)C |
SMILES | CACTVS | 3.385 | C[C]1(NC(=O)NC1=O)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
Canonical SMILES | CACTVS | 3.385 | C[C@]1(NC(=O)NC1=O)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C[C@@]1(C(=O)NC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
InChI | InChI | 1.03 | InChI=1S/C18H14N4O3/c1-18(16(24)21-17(25)22-18)11-8-6-10(7-9-11)14-19-13-5-3-2-4-12(13)15(23)20-14/h2-9H,1H3,(H,19,20,23)(H2,21,22,24,25)/t18-/m0/s1 |
InChIKey | InChI | 1.03 | SBPOIJPCJCMVPV-SFHVURJKSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 135566664, 71748656 |